(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

C14H11FN4O5 — CID 34549545

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCc1noc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)n1
InChIInChI=1S/C14H11FN4O5/c1-8-16-11(24-18-8)7-22-12(20)6-19-14(21)23-13(17-19)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3
InChIKeyAYLKIFDJUXMHAK-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.08
Rot. Bonds5

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (PubChem CID 34549545) has the molecular formula C14H11FN4O5 and a molecular weight of 334.26 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
PubChem CID34549545
Molecular FormulaC14H11FN4O5
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCc1noc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)n1
InChIInChI=1S/C14H11FN4O5/c1-8-16-11(24-18-8)7-22-12(20)6-19-14(21)23-13(17-19)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3
InChIKeyAYLKIFDJUXMHAK-UHFFFAOYSA-N
XLogP1.08
TPSA113.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (CID 34549545) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is Cc1noc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The InChIKey is AYLKIFDJUXMHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O5/c1-8-16-11(24-18-8)7-22-12(20)6-19-14(21)23-13(17-19)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate has a molecular weight of 334.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is sourced from PubChem (CID 34549545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).